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BioLiP

PDB CCD ID: OAZ
Number of entries in BioLiP: 1
Chemical formula: C8 H7 N3 O2
InChI: InChI=1S/C8H7N3O3/c9-11-10-7-4-2-1-3-6(7)5-14-8(12)13/h1-4H,5H2,(H,12,13)
InChIKey: YHJYQHHCLBKKKY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(c(c1)COC(=O)O)N=[N+]=[N-]
CACTVS 3.385OC(=O)OCc1ccccc1N=[N+]=[N-]
ACDLabs 12.01C(=O)(O)OCc1c(cccc1)N=[N+]=[N-]
Name:(2-azidophenyl)methyl hydrogen carbonate
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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